Structure of PDB 6tl6 Chain D Binding Site BS02

Receptor Information
>6tl6 Chain D (length=251) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WRYGGDPPWPRVSPACAGRFQSPVDIRPQLAAFSPALRPLELLGFQLPPL
PELRLRNNGHSVQLTLPPGLEMALGPGREYRALQLHLHWGAAGRPGSEHT
VEGHRFPAEIHVVHLSTAFARVDEALGRPGGLAVLAAFLEEGPEENSAYE
QLLSRLEEIAEEGSETQVPGLDISALLPSDFSRYFQYEGSLTTPPCAQGV
IWTVFQQTVMLSAKQLHTLSDTLWGPGDSRLQLNFRATQPLNGRVIEASF
P
Ligand information
Ligand IDMUE
InChIInChI=1S/C10H9NO2S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,11,12,13)
InChIKeySWBLLSQMOMPTMC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385N[S](=O)(=O)c1ccc2ccccc2c1
OpenEye OEToolkits 2.0.7c1ccc2cc(ccc2c1)S(=O)(=O)N
FormulaC10 H9 N O2 S
Namenaphthalene-2-sulfonamide
ChEMBLCHEMBL1427894
DrugBank
ZINCZINC000000406428
PDB chain6tl6 Chain D Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6tl6 Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide
Resolution2.15 Å
Binding residue
(original residue number in PDB)		H94 L198 T199 T200 W209
Binding residue
(residue number reindexed from 1)		H86 L191 T192 T193 W202
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H64 H94 H96 E106 H119 T199
Catalytic site (residue number reindexed from 1) H60 H86 H88 E98 H111 T192
Enzyme Commision number 4.2.1.1: carbonic anhydrase.
Gene Ontology
Molecular Function
GO:0004089 carbonate dehydratase activity
GO:0008270 zinc ion binding

View graph for
Molecular Function
External links
PDB RCSB:6tl6, PDBe:6tl6, PDBj:6tl6
PDBsum6tl6
PubMed32971003
UniProtQ16790|CAH9_HUMAN Carbonic anhydrase 9 (Gene Name=CA9)

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